6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione

C11H16N2O3 — CID 64878733

IUPAC6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2CCOC2)C1C1CC1
InChIInChI=1S/C11H16N2O3/c14-9-5-12-11(15)10(7-1-2-7)13(9)8-3-4-16-6-8/h7-8,10H,1-6H2,(H,12,15)
InChIKeyXYMDWIILWFQAJI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.49
Rot. Bonds2

About 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione

6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64878733) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64878733
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(C2CCOC2)C1C1CC1
InChIInChI=1S/C11H16N2O3/c14-9-5-12-11(15)10(7-1-2-7)13(9)8-3-4-16-6-8/h7-8,10H,1-6H2,(H,12,15)
InChIKeyXYMDWIILWFQAJI-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64878733) is 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione is O=C1NCC(=O)N(C2CCOC2)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is XYMDWIILWFQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-5-12-11(15)10(7-1-2-7)13(9)8-3-4-16-6-8/h7-8,10H,1-6H2,(H,12,15).
What are the key properties of 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione?
6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).